propyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-(pivaloylamino)phenyl]thiocarbamoylamino]butyric acid propyl ester Formula: C19H27N3O4S MolecularWeight: 393.50038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C(C)(C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H27N3O4S/c1-5-11-26-16(24)10-9-15(23)22-18(27)21-14-8-6-7-13(12-14)20-17(25)19(2,3)4/h6-8,12H,5,9-11H2,1-4H3,(H,20,25)(H2,21,22,23,27)